How to generate 3D structures with Marvin Molconverter node?

Hi Marvin lovers,

I'm trying to use Marvin Molconverter node to convert smiles to 3D structures. Googling around I found that in the batch version of molconverter this is done using the “-3” option, and “-3:[prehydrogenize]” to output hydrogen atoms explicitly.

Nevertheless when I add these options in the to the "Output Options" box, the Molconverter node triggers the warning “Unknown option(s)”.

Please, can anybody help in this?

Gio

Hi Gio,

Unfortunately, the node doesn't support the option.
The node supports only the Basic export options and specified options for each format.

It's only available in comercial products now.

Best,
Taka

OK Tohshima, thanks for the info.

New Free Marvin Nodes has the following enhancment.

 Improvements
  -MolConverter
   Add 'Remove small fragments' options.
   Add 'Cleaning' options.

This topic was automatically closed 90 days after the last reply. New replies are no longer allowed.